C.I. Acid orange 3

CAT: 0931-T85943-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T85943-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

6373-74-6

Target

Others

Related Pathways

Others

Bioactivity

C.I. Acid orange 3, an acidic orange-yellow dye, can be adsorbed and removed by bentone.

Smiles

O=S(C(C=C(C=C1)NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=C1NC3=CC=CC=C3)([O-])=O.[Na+]

Molecular Formula

C18H13N4NaO7S

Molecular Weight

452.37

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

C.I. Acid Orange 3

CI Acid Orange 3 is an organic molecular entity.

CAS Number	6373-74-6
PubChem CID	5284435
IUPAC Name	sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulfonate
Molecular Formula	C18H13N4NaO7S
Molecular Weight	452.4
Topological Polar Surface Area	181
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	698

SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1

InChIKey

KKBFCPLWFWQNFB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 6373-74-6

CID: 5284435

Formula: C18H13N4NaO7S

MW: 452.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	452.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	452.04026422
Monoisotopic Mass	452.04026422
Topological Polar Surface Area	181 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	698
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FA41261-01	C.I.Acid Orange 88
HY-D0481	C.I. Acid orange 67
FA41253-01	C.I.Acid orange 24
HY-D0446	C.I. Acid orange 33
596179	C.I. Acid Orange 7
MBS5780291	C.I. Acid Orange 20
HY-D0391-01	C.I Acid orange 8
HY-D0417-01	C.I. Acid orange 3
S624120	C.I. Acid Orange 6 (Free Acid)
239774-01	Methyl Orange ACS (Acid Orange 52, C.I. 13025)

C.I. Acid orange 3

Chemical Information

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